CID 10892302

Tert-butyl 4-iodopiperidine-1-carboxylate

Structural Information

Molecular Formula
C10H18INO2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)I
InChI
InChI=1S/C10H18INO2/c1-10(2,3)14-9(13)12-6-4-8(11)5-7-12/h8H,4-7H2,1-3H3
InChIKey
YFWQFKUQVJNPKP-UHFFFAOYSA-N
Compound name
tert-butyl 4-iodopiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1236
Patents

311.03824 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.04552 155.2
[M+Na]+ 334.02746 153.5
[M-H]- 310.03096 149.9
[M+NH4]+ 329.07206 168.3
[M+K]+ 350.00140 158.8
[M+H-H2O]+ 294.03550 145.7
[M+HCOO]- 356.03644 167.0
[M+CH3COO]- 370.05209 192.7
[M+Na-2H]- 332.01291 146.5
[M]+ 311.03769 150.7
[M]- 311.03879 150.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe